La2(NdEr)5
Alexandria ALEXAlex-ID: agm005648448 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_18_spg12
NdEr2 La3Nd5 LaEr2
2023-06-19 01:53:09.325334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648448).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005648448
data_agm005648448
_cell_length_a 5.09379
_cell_length_b 8.12388
_cell_length_c 10.87274
_cell_angle_alpha 72.78320
_cell_angle_beta 76.45287
_cell_angle_gamma 71.72927
_cell_volume 403.10845
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.91780 0.41295 0.75145 1.00000
La2 La 0.08220 0.58705 0.24855 1.00000
Nd1 Nd 0.83426 0.83197 0.49951 1.00000
Nd2 Nd 0.24736 0.75222 0.75306 1.00000
Nd3 Nd 0.75264 0.24778 0.24694 1.00000
Nd4 Nd 0.16574 0.16803 0.50049 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.33322 0.33254 0.00102 1.00000
Er3 Er 0.41634 0.91831 0.24902 1.00000
Er4 Er 0.58366 0.08169 0.75098 1.00000
Er5 Er 0.66678 0.66746 0.99898 1.00000
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